HRID702017

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID19660

Carbonate

CO3-2

HCID83717

Copper iodide (CuI2)

CuI2

HCID104967

Cesium(1+)

Cs+

2 次

HCID3721460

4-Phenyl-1H-pyrrole-3-carbonitrile

C11H8N2

HCID86645166

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc(-n2cc(C#N)c(-c3ccccc3)c2)ncc1OCc1ccccc1

HCID59477805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3134c124dbed49a6911030fbb9c152fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][nH:5][cH:6][c:7]1-[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[C:34](=[O:35])([O-:36])[O-:37].[CH2:14]([CH3:15])[O:16][C:17]([c:18]1[cH:19][c:20]([Br:32])[n:21][cH:22][c:23]1[O:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)=[O:33].[CH3:40][N:41]([CH3:42])[CH2:43][C:44]([OH:45])=[O:46].[CH3:47][S:48]([CH3:49])=[O:50].[Cs+:38].[Cs+:39].[Cu:51]([I:52])[I:53]>>[C:1](#[N:2])[c:3]1[cH:4][n:5](-[c:20]2[cH:19][c:18]([C:17]([O:16][CH2:14][CH3:15])=[O:33])[c:23]([O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:22][n:21]2)[cH:6][c:7]1-[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1